Geometry & MOs

Info

ID:	333644
PubChem CID:	127252196
Reduced:	FON4H19C20 (1)
Stoich.:	ABC4D19E20 (1)
Weight, g/mol:	413.171497
ΔH_f, kcal/mol:	19.26
Dipole, Da:	1.93
IP(EA), eV:	-8.99(-1.02)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-(pyridin-3-ylmethyl)-2-[6-[[2-(trifluoromethyl)phenyl]methyl]pyridin-2-yl]morpholine

Drug info:

PubChemData

Smile

C1COC(CN1CC2=CN=CC=C2)C3=NC=CN=C3C4=CC(=CC=C4)F

DOS

IR

Vibrations